sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Cavities are compared using Shaper.
For more information, please see the following publication:
Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 3ar5 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ar5 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 1.000 | |
| 3ar7 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.635 | |
| 3ar6 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.629 | |
| 3ar4 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.598 | |
| 2agv | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.587 | |
| 2dqs | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.585 | |
| 2e9a | B28 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.484 | |
| 4kla | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.465 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.462 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.459 | |
| 4xoq | F42 | Coenzyme F420:L-glutamate ligase | / | 0.459 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.458 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.457 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.457 | |
| 3czr | 3CZ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.456 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.454 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.454 | |
| 2e9d | B76 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.453 | |
| 2gd2 | CAA | Probable alpha-methylacyl-CoA racemase Mcr (2-methylacyl-CoA racemase) (2-arylpropionyl-CoA epimerase ) | / | 0.452 | |
| 3c3d | FO1 | 2-phospho-L-lactate transferase | / | 0.452 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.452 | |
| 1y60 | H4M | 5,6,7,8-tetrahydromethanopterin hydro-lyase | 4.2.1.147 | 0.451 | |
| 3g4k | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 2bxo | OPB | Serum albumin | / | 0.449 | |
| 3h18 | PMS | Esterase/lipase | / | 0.449 | |
| 3hub | 469 | Mitogen-activated protein kinase 14 | / | 0.449 | |
| 2b00 | GCH | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.448 | |
| 2b37 | 8PS | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 4zas | TYD | CalS13 | / | 0.448 | |
| 2e99 | B08 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.447 | |
| 2y98 | MIV | Mycinamicin IV hydroxylase/epoxidase | / | 0.447 | |
| 3zsh | 469 | Mitogen-activated protein kinase 14 | / | 0.447 | |
| 2d29 | FAD | Acyl-CoA dehydrogenase | / | 0.446 | |
| 1nqu | RDL | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.445 | |
| 2qd3 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.445 | |
| 2ydo | ADN | Adenosine receptor A2a | / | 0.445 | |
| 4g2g | TDH | Mycocyclosin synthase | 1.14.21.9 | 0.444 | |
| 2gd0 | MRS | Probable alpha-methylacyl-CoA racemase Mcr (2-methylacyl-CoA racemase) (2-arylpropionyl-CoA epimerase ) | / | 0.443 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.443 | |
| 4bb6 | HD1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.442 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.442 | |
| 1nq7 | ARL | Nuclear receptor ROR-beta | / | 0.442 | |
| 2azz | TCH | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.442 | |
| 3aba | FLI | Cytochrome P450 | / | 0.442 | |
| 4c1i | EH9 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.442 | |
| 4g48 | PZB | Mycocyclosin synthase | 1.14.21.9 | 0.442 | |
| 2jn3 | JN3 | Fatty acid-binding protein, liver | / | 0.441 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.441 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 4b7d | QLE | Cytochrome P450 monooxygenase PikC | / | 0.441 | |
| 4gue | QCT | Ribosomal protein S6 kinase alpha-3 | 2.7.11.1 | 0.441 | |
| 4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.440 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.440 | |
| 3l70 | JZV | Cytochrome b | / | 0.440 | |
| 4ib4 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.440 |